BAS 01029174
TL;DR: BAS 01029174 (CAS 333776-91-3) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Also Known As: BAS 01029174, 4-cinnamoyl-3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-1H-pyrrol-2(5H)-one, 3-hydroxy-1-(2-hydroxyethyl)-5-(2-nitrophenyl)-4-[(2E)-3-phenylprop-2-enoyl]-1,5-dihydro-2H-pyrrol-2-one, 4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 2.565 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1012.8412 |
Chemical Identifiers
| CAS Number | 333776-91-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N(C2C3=CC=CC=C3[N+](=O)[O-])CCO)O |
Product Overview
BAS 01029174 (CAS 333776-91-3), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: 4-hydroxy-1-(2-hydroxyethyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one.
Chemical Property Profile of BAS 01029174
Property Insights of BAS 01029174
The XLogP value of 2.565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01029174. The TPSA of 120.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029174. Following Lipinski's Rule of Five, BAS 01029174 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01029174?
The CAS number of BAS 01029174 is 333776-91-3.
What is the molecular formula of BAS 01029174?
The molecular formula of BAS 01029174 is C21H18N2O6.
What is the molecular weight of BAS 01029174?
The molecular weight of BAS 01029174 is 394.12 g/mol.
Where can I buy BAS 01029174?
You can request a quote for BAS 01029174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029174?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.